CID 3044958

K 9921

Structural Information

Molecular Formula
C16H14BrNO2
SMILES
CCN(C)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)Br
InChI
InChI=1S/C16H14BrNO2/c1-3-18(2)15-9-13(19)16-12-6-5-11(17)8-10(12)4-7-14(16)20-15/h4-9H,3H2,1-2H3
InChIKey
COSBSYARTPKEKP-UHFFFAOYSA-N
Compound name
8-bromo-3-[ethyl(methyl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.02078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02806 160.7
[M+Na]+ 354.01000 167.8
[M+NH4]+ 349.05460 166.6
[M+K]+ 369.98394 166.0
[M-H]- 330.01350 165.1
[M+Na-2H]- 351.99545 165.4
[M]+ 331.02023 162.1
[M]- 331.02133 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.